(2R,3S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-6-methylcyclohexan-1-one

C13H26O4Si — CID 11651987

IUPAC(2R,3S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-6-methylcyclohexan-1-one
SMILESC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)C1=O
InChIInChI=1S/C13H26O4Si/c1-8-7-9(11(15)12(16)10(8)14)17-18(5,6)13(2,3)4/h8-9,11-12,15-16H,7H2,1-6H3/t8-,9+,11+,12-/m0/s1
InChIKeyTZUPMRBYLLPSLH-SPFNVWMYSA-N
MW274.43 g/mol
LogP1.71
Rot. Bonds2

About (2R,3S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-6-methylcyclohexan-1-one

(2R,3S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-6-methylcyclohexan-1-one (PubChem CID 11651987) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is (2R,3S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-6-methylcyclohexan-1-one.

Molecular Properties

Compound Name(2R,3S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-6-methylcyclohexan-1-one
PubChem CID11651987
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name(2R,3S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-6-methylcyclohexan-1-one
SMILESC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)C1=O
InChIInChI=1S/C13H26O4Si/c1-8-7-9(11(15)12(16)10(8)14)17-18(5,6)13(2,3)4/h8-9,11-12,15-16H,7H2,1-6H3/t8-,9+,11+,12-/m0/s1
InChIKeyTZUPMRBYLLPSLH-SPFNVWMYSA-N
XLogP1.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2R,3S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-6-methylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-6-methylcyclohexan-1-one?
The IUPAC name of (2R,3S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-6-methylcyclohexan-1-one (CID 11651987) is (2R,3S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-6-methylcyclohexan-1-one.
What is the SMILES notation for (2R,3S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-6-methylcyclohexan-1-one?
The canonical SMILES for (2R,3S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-6-methylcyclohexan-1-one is C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)C1=O.
What is the InChIKey of (2R,3S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-6-methylcyclohexan-1-one?
The InChIKey is TZUPMRBYLLPSLH-SPFNVWMYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-8-7-9(11(15)12(16)10(8)14)17-18(5,6)13(2,3)4/h8-9,11-12,15-16H,7H2,1-6H3/t8-,9+,11+,12-/m0/s1.
What are the key properties of (2R,3S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-6-methylcyclohexan-1-one?
(2R,3S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-6-methylcyclohexan-1-one has a molecular weight of 274.43 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-6-methylcyclohexan-1-one is sourced from PubChem (CID 11651987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).